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wfwsgv铁杆木虫 (正式写手)
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[求助]
求解化合物，可用微谱确定一下结构
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有微谱数据的大侠可以输入以下数据 查一下 溶剂为甲醇 c谱数据如下 138.9 138.5 132.8 130.4 130.3 129.5 129.5 128.5 127.8 127.5 106.9 101.4 66.2 56.6 51.2 39.0 38.1 20.7 其中可能高场有杂质c，麻烦用模糊查询相似度高的化合物，谢谢各位啊 |
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lizi7952
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【答案】应助回帖
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wfwsgv(金币+10): 感谢，呵呵，只是这相似度有点低了，很多都对不上啊 2011-10-09 17:04:32
qinhy(金币+1, PhEPI+1): 虽然很多都对不上，但是你也很用心了~给个EPI奖励下~ 2011-10-09 18:40:03
wfwsgv(金币+10): 感谢，呵呵，只是这相似度有点低了，很多都对不上啊 2011-10-09 17:04:32
qinhy(金币+1, PhEPI+1): 虽然很多都对不上，但是你也很用心了~给个EPI奖励下~ 2011-10-09 18:40:03
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查询结果：共查到24个化合物(查询结果仅供参考) 1 . 3-hydroxy-5-methoxystilbene 相似度:61.1% Journal of Natural Products 2007 70 968-973 Stilbenes from the Orchid Phragmipedium sp. Eliane Garo,Jin-Feng Hu, Matt Goering, Grayson Hough, Mark O’Neil-Johnson, and Gary Eldridge Structure 13C NMR 碳谱模拟图 2 . [4(5)S]-4(5)-(2-Aminoethyl)-2-[(naphthyl-1)methylene]imidazoline dihydrobromide C16H21Br2N3 相似度:61.1% Bioorganic & Medicinal Chemistry 2011 19 156-167 New imidazoline/α2-adrenoceptors affecting compounds—4(5)-(2-aminoethyl)imidazoline (dihydrohistamine)derivatives. Synthesis and receptor affinity studies Adam P. Treder, Ryszard Andruszkiewicz, Włodzimierz Zgoda, Aleksandra Walkowiak,Celeste Ford, Alan L. Hudson Structure 13C NMR 碳谱模拟图 3 . [4(5)R]-4(5)-(2-Aminoethyl)-2-[(naphthyl-1)methylene]imidazoline dihydrobromide C16H21Br2N3 相似度:61.1% Bioorganic & Medicinal Chemistry 2011 19 156-167 New imidazoline/α2-adrenoceptors affecting compounds—4(5)-(2-aminoethyl)imidazoline (dihydrohistamine)derivatives. Synthesis and receptor affinity studies Adam P. Treder, Ryszard Andruszkiewicz, Włodzimierz Zgoda, Aleksandra Walkowiak,Celeste Ford, Alan L. Hudson Structure 13C NMR 碳谱模拟图 4 . Compound 7 相似度:55.5% Magnetic Resonance in Chmesitry 2002 40 554-556 1H and 13C chemical shifts for bis(benzopyridinium) dibromides with semirigid aromatic linkers J. Campos, J. J. Díaz, M. C. Núñez, A. Entrena, M. A. Gallo and A. Espinosa Structure 13C NMR 碳谱模拟图 5 . (E)-3'-hydroxy-2'-(4-hydroxybenzyl)-5'-methoxystilbene C22H20O3 相似度:55% Journal of Natural Products 2007 70 968-973 Stilbenes from the Orchid Phragmipedium sp. Eliane Garo,Jin-Feng Hu, Matt Goering, Grayson Hough, Mark O’Neil-Johnson, and Gary Eldridge Structure 13C NMR 碳谱模拟图 6 . 2-[6-Chloro-4-(2-chlorophenyl)-2-morpholinoquinolin-3-yl]ethanol C21H20N2O2Cl2 相似度:52.6% Bioorganic & Medicinal Chemistry 2011 19 1400-1408 Synthesis and biological assay of 4-aryl-6-chloro-quinoline derivatives as novel non-nucleoside anti-HBV agents Rui-Hua Guo, Quan Zhang, Yun-Bao Ma, Xiao-Yan Huang, Jie Luo, Li-Jun Wang, Chang-An Geng,Xue-Mei Zhang, Jun Zhou, Zhi-Yong Jiang, Ji-Jun Chen Structure 13C NMR 碳谱模拟图 7 . Sodium 2-{6-[(2-oxocyclopentyl)methyl]biphenyl-3-yl}-propanoate C21H21NaO3 相似度:52.6% Bioorganic & Medicinal Chemistry 2011 19 3299-3311 Synthesis and biological evaluation of loxoprofen derivatives Naoki Yamakawa ,Shintaro Suemasu, Masaaki Matoyama , Ken-ichiro Tanaka, Takashi Katsu ,Keishi Miyata , Yoshinari Okamoto , Masami Otsuka , Tohru Mizushima Structure 13C NMR 碳谱模拟图 8 . Sodium 2-{5-[(2-oxocyclopentyl)methyl]biphenyl-2-yl}propanoate C21H21NaO3 相似度:52.6% Bioorganic & Medicinal Chemistry 2011 19 3299-3311 Synthesis and biological evaluation of loxoprofen derivatives Naoki Yamakawa ,Shintaro Suemasu, Masaaki Matoyama , Ken-ichiro Tanaka, Takashi Katsu ,Keishi Miyata , Yoshinari Okamoto , Masami Otsuka , Tohru Mizushima Structure 13C NMR 碳谱模拟图 9 . O2-(Nα-Acetyl L-serine-L-serine-L-phenylalanine-L-tyrosine)methyl 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate 相似度:52.6% Tetrahedron Letters 2001 42 2625-2629 Synthesis of peptide-diazeniumdiolate conjugates: towards enzyme activated antitumor agents Xiaoping Tang, Ming Xian, Mohit Trikha, Kenneth V Honn, Peng George Wang Structure 13C NMR 碳谱模拟图 10 . lorneic acid A C17H22O2 相似度:50% Journal of Natural Products 2009 72 2046-2048 Lorneic Acids, Trialkyl-Substituted Aromatic Acids from a Marine-Derived Actinomycete Fumie Iwata, Seizo Sato, Takako Mukai, Shoichi Yamada, Jiro Takeo, Akihisa Abe, Takaaki Okita, and Hiroyuki Kawahara Structure 13C NMR 碳谱模拟图 11 . eudistomin X C21H21N3O 相似度:50% Journal of Natural Products 2003 66 272-275 Eudistomins W and X, Two New β-Carbolines from the Micronesian Tunicate Eudistoma sp. Peter Schupp, Timo Poehner, RuAngelie Edrada, Rainer Ebel, Albrecht Berg, Victor Wray, and Peter Proksch Structure 13C NMR 碳谱模拟图 12 . Magaldehyde B C18H16O3 相似度:50% Natural Product Sciences 2008 14 196-201 Anti-complement Activity of Phenolic Compounds from the Stem Bark of Magnolia obovata Min, Byung-Sun Structure 13C NMR 碳谱模拟图 13 . Sodium 2-(4'-(methylthio)-5-((2-oxocyclopentyl)methyl)biphenyl-2-yl)propanoate C22H23NaSO3 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 3299-3311 Synthesis and biological evaluation of loxoprofen derivatives Naoki Yamakawa ,Shintaro Suemasu, Masaaki Matoyama , Ken-ichiro Tanaka, Takashi Katsu ,Keishi Miyata , Yoshinari Okamoto , Masami Otsuka , Tohru Mizushima Structure 13C NMR 碳谱模拟图 14 . Sodium 2-{4'-fluoro-5-[(2-oxocyclopentyl)methyl]biphenyl-2-yl}propanoate C21H20FNaO3 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 3299-3311 Synthesis and biological evaluation of loxoprofen derivatives Naoki Yamakawa ,Shintaro Suemasu, Masaaki Matoyama , Ken-ichiro Tanaka, Takashi Katsu ,Keishi Miyata , Yoshinari Okamoto , Masami Otsuka , Tohru Mizushima Structure 13C NMR 碳谱模拟图 15 . compound 3 C18H23N2 相似度:50% Tetrahedron Letters 2000 41 1677-1680 Mild method for the synthesis of amidines by the electrophilic activation of amides André B. Charette, Michel Grenon Structure 13C NMR 碳谱模拟图 16 . compound 4A 相似度:50% Tetrahedron Letters 2000 41 4835-4839 A practical synthesis of peptide mimetics via the solid-phase Petasis reaction Sean R. Klopfenstein, Jack J. Chen, Adam Golebiowski, Min Li, Sean X. Peng, Xia Shao Structure 13C NMR 碳谱模拟图 17 . compound 22 C26H27N2O 相似度:50% Tetrahedron Letters 2000 41 9607-9611 Synthesis of piperazinones and benzopiperazinones from 1,2-diamines and organoboronic acids Nicos A. Petasis, Zubin D. Patel Structure 13C NMR 碳谱模拟图 18 . compound 5g C26H19Cl2NO4PS 相似度:50% Journal of Heterocyclic Chemistry 2008 45 103-107 Structure 13C NMR 碳谱模拟图 19 . 4-acetyl (biphenyl-4-yl-methyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one C21H20O3HS 相似度:50% Bioorganic & Medicinal Chemistry Letters 2007 17 5643-5646 Synthesis and biological evaluation of a C5-biphenyl thiolactomycin library Veemal Bhowruth, Alistair K. Brown, Suzanne J. Senior, John S. Snaith, Gurdyal S. Besra Structure 13C NMR 碳谱模拟图 20 . Compound 6 相似度:50% Magnetic Resonance in Chmesitry 2002 40 554-556 1H and 13C chemical shifts for bis(benzopyridinium) dibromides with semirigid aromatic linkers J. Campos, J. J. Díaz, M. C. Núñez, A. Entrena, M. A. Gallo and A. Espinosa Structure 13C NMR 碳谱模拟图 21 . Compound 8 相似度:50% Magnetic Resonance in Chmesitry 2002 40 554-556 1H and 13C chemical shifts for bis(benzopyridinium) dibromides with semirigid aromatic linkers J. Campos, J. J. Díaz, M. C. Núñez, A. Entrena, M. A. Gallo and A. Espinosa Structure 13C NMR 碳谱模拟图 22 . pronuciferine 相似度:50% Natural Product Research and Development 2009 21 416-419 Study on Chemical Constituents of Folium Nelumbinis WANG Ling-ling; LIU Bin; SHI Ren-bing Structure 13C NMR 碳谱模拟图 23 . Marinoquinoline D C18H14N2O 相似度:50% Journal of Natural Products 2011 74 603-608 Marinoquinolines A−F, Pyrroloquinolines from Ohtaekwangia kribbensis (Bacteroidetes) Patrick W. Okanya, Kathrin I. Mohr, Klaus Gerth, Rolf Jansen, and Rolf Müller Structure 13C NMR 碳谱模拟图 24 . (S)-1-(2-(5-carboxy-3-methyl-1H-indole-2-carboxamido)-ethylamino)-1-oxo-3-phenylpropan-2-aminium chloride 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 4346-4354 Synthesis and evaluation of bidentate ligands designed to interact with PDZ domains Benjamin Boucherle, Alexandre Vogrig, Hemantkumar Deokar, Naoual Bouzidi, Isabelle Ripoche, Isabelle Thomas, Philippe Marin, Sylvie Ducki Structure 13C NMR 碳谱模拟图 |
2楼2011-10-09 13:41:01